Introduce SimulatorBuilder
[gromacs.git] / src / gromacs / commandline / cmdlineinit.cpp
blob035bcc8e09d2523d586d521283ea708e8e402409
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35 /*! \internal \file
36 * \brief
37 * Implements functions from cmdlineinit.h.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_commandline
42 #include "gmxpre.h"
44 #include "cmdlineinit.h"
46 #include <cstring>
48 #include <memory>
49 #include <utility>
51 #include "gromacs/commandline/cmdlinemodulemanager.h"
52 #include "gromacs/commandline/cmdlineoptionsmodule.h"
53 #include "gromacs/commandline/cmdlineprogramcontext.h"
54 #include "gromacs/utility/basenetwork.h"
55 #include "gromacs/utility/datafilefinder.h"
56 #include "gromacs/utility/exceptions.h"
57 #include "gromacs/utility/futil.h"
58 #include "gromacs/utility/gmxassert.h"
59 #include "gromacs/utility/init.h"
60 #include "gromacs/utility/programcontext.h"
61 #include "gromacs/utility/smalloc.h"
63 namespace gmx
66 namespace
69 //! \addtogroup module_commandline
70 //! \{
72 // These never release ownership.
73 //! Global context instance initialized in initForCommandLine().
74 std::unique_ptr<CommandLineProgramContext> g_commandLineContext;
75 //! Global library data file finder that respects GMXLIB.
76 std::unique_ptr<DataFileFinder> g_libFileFinder;
78 /*! \brief
79 * Broadcasts command-line arguments to all ranks.
81 * MPI does not ensure that command-line arguments would be passed on any
82 * other rank than zero, but our code wants to parse them on each rank
83 * separately.
85 void broadcastArguments(int *argc, char ***argv)
87 if (gmx_node_num() <= 1)
89 return;
91 gmx_broadcast_world(sizeof(*argc), argc);
93 const bool isMaster = (gmx_node_rank() == 0);
94 if (!isMaster)
96 snew(*argv, *argc+1);
98 for (int i = 0; i < *argc; i++)
100 int len;
101 if (isMaster)
103 len = std::strlen((*argv)[i])+1;
105 gmx_broadcast_world(sizeof(len), &len);
106 if (!isMaster)
108 snew((*argv)[i], len);
110 gmx_broadcast_world(len, (*argv)[i]);
114 //! \}
116 } // namespace
118 CommandLineProgramContext &initForCommandLine(int *argc, char ***argv)
120 gmx::init(argc, argv);
121 GMX_RELEASE_ASSERT(!g_commandLineContext,
122 "initForCommandLine() calls cannot be nested");
123 // TODO: Consider whether the argument broadcast would better be done
124 // in CommandLineModuleManager.
125 broadcastArguments(argc, argv);
128 g_commandLineContext = std::make_unique<CommandLineProgramContext>(*argc, *argv);
129 setProgramContext(g_commandLineContext.get());
130 g_libFileFinder = std::make_unique<DataFileFinder>();
131 g_libFileFinder->setSearchPathFromEnv("GMXLIB");
132 setLibraryFileFinder(g_libFileFinder.get());
134 catch (const std::exception &ex)
136 printFatalErrorMessage(stderr, ex);
137 std::exit(processExceptionAtExit(ex));
139 return *g_commandLineContext;
142 void finalizeForCommandLine()
144 gmx::finalize();
145 setLibraryFileFinder(nullptr);
146 g_libFileFinder.reset();
147 setProgramContext(nullptr);
148 g_commandLineContext.reset();
151 int processExceptionAtExitForCommandLine(const std::exception &ex)
153 int rc = processExceptionAtExit(ex); // Currently this aborts for real MPI
154 finalizeForCommandLine(); // thus this MPI_Finalize doesn't matter.
155 return rc;
158 int runCommandLineModule(int argc, char *argv[],
159 ICommandLineModule *module)
161 return CommandLineModuleManager::runAsMainSingleModule(argc, argv, module);
164 int runCommandLineModule(
165 int argc, char *argv[], const char *name, const char *description,
166 std::function<std::unique_ptr<ICommandLineOptionsModule>()> factory)
168 return ICommandLineOptionsModule::runAsMain(
169 argc, argv, name, description, std::move(factory));
172 } // namespace gmx
174 int gmx_run_cmain(int argc, char *argv[], int (*mainFunction)(int, char *[]))
176 return gmx::CommandLineModuleManager::runAsMainCMain(argc, argv, mainFunction);